SCHEMBL11939102

SCHEMBL11939102

c1ccc(Oc2ccc(Nc3nccn4c(-c5ccc6[nH]ccc6c5)cnc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.45
▸ TNK2 Q07912 1/20 0.44
▸ MAPKAPK5 Q8IW41 4/20 0.44
▸ SYK P43405 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ TTBK1 Q5TCY1 2/20 0.41
▸ TTBK2 Q6IQ55 2/20 0.41
▸ EED O75530 1/20 0.40
▸ PTK6 Q13882 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ PRKD1 Q15139 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3469679 0.84 PRKD1 (0.40) TTKTNK2MAPKAPK5SYKEED
SCHEMBL3471563 0.81 ERN1 (0.46) TTKMAPKAPK5SYKTTBK1TTBK2
SCHEMBL3469745 0.81 ABL1 (0.51) TTKMAPKAPK5SYKAURKAAURKB
SCHEMBL3470478 0.79 MAPKAPK5 (0.43) TTKMAPKAPK5SYKAURKAAURKB
SCHEMBL5618954 0.79 FLT3 (0.51) TTKMAPKAPK5SYKEEDFYN
SCHEMBL5573319 0.76 MAPKAPK5 (0.75) MAPKAPK5SYKBTKPTK6FYN
SCHEMBL3470512 0.76 SYK (0.49) MAPKAPK5SYKFYNPRKD1
SCHEMBL1674087 0.76 MAPKAPK5 (0.60) MAPKAPK5SYKAURKAAURKBPTK6
SCHEMBL8246761 0.76 AURKA (0.64) TTKTNK2MAPKAPK5BTKAURKA
SCHEMBL3469690 0.76 PRKD1 (0.44) TTKMAPKAPK5SYKEEDPRKD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 — — US disclosed
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 — — US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 — — US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 — — US disclosed
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 — — EP disclosed
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 — — EP disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 — — US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 — — US disclosed
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 TTK 147/4885TNK2 137/4885MAPKAPK5 46/4885
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES ABL1, LCK, SRC TTK 160/4885TNK2 53/4885MAPKAPK5 273/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 TTK 147/4885TNK2 137/4885MAPKAPK5 46/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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